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[6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-octoxybenzoate

[6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-octoxybenzoate

Systemtic Name:[6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-octoxybenzoate
Openeye Name:[6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] 4-octoxybenzoate
CAS Name:4-octoxybenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridinyl] ester
IUPAC Name:[6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-octoxybenzoate
Traditional Name:4-octoxybenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] ester
Formula: C29H32N2O3
MolecularWeight: 456.57598
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N


Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N


InChI

InChI=1S/C29H32N2O3/c1-2-3-4-5-6-7-20-33-27-17-13-25(14-18-27)29(32)34-28-19-16-26(31-22-28)15-12-23-8-10-24(21-30)11-9-23/h8-11,13-14,16-19,22H,2-7,12,15,20H2,1H3


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